dimethyl 5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H20N4O7 MolecularWeight: 404.374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O7/c1-9-15(22(26)27)10(2)21(20-9)11(3)16(23)19-14-7-12(17(24)28-4)6-13(8-14)18(25)29-5/h6-8,11H,1-5H3,(H,19,23)